Geometry & MOs

Info

ID:	79523
PubChem CID:	49816686
Reduced:	ClO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	381.124405
ΔH_f, kcal/mol:	-44.18
Dipole, Da:	2.46
IP(EA), eV:	-8.74(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-methyl-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN2C(=O)C=C(N=C2C3=CC(=CC=C3)Cl)C)C

DOS

IR

Vibrations